N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide

C17H17ClN4O4S3 — CID 135391827

IUPACN-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C(C)NS(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H17ClN4O4S3/c1-11-3-7-14(8-4-11)29(25,26)22-17-20-19-16(27-17)12(2)21-28(23,24)15-9-5-13(18)6-10-15/h3-10,12,21H,1-2H3,(H,20,22)
InChIKeyFJGPJCAHXNTTSN-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.34
Rot. Bonds7

About N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide

N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 135391827) has the molecular formula C17H17ClN4O4S3 and a molecular weight of 473.00 g/mol. Its IUPAC name is N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID135391827
Molecular FormulaC17H17ClN4O4S3
Molecular Weight473.00 g/mol
Exact Mass472.01
IUPAC NameN-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C(C)NS(=O)(=O)c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C17H17ClN4O4S3/c1-11-3-7-14(8-4-11)29(25,26)22-17-20-19-16(27-17)12(2)21-28(23,24)15-9-5-13(18)6-10-15/h3-10,12,21H,1-2H3,(H,20,22)
InChIKeyFJGPJCAHXNTTSN-UHFFFAOYSA-N
XLogP3.34
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[5-(4-bromoanilino)-1,3,4-thiadiazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
CID 172877117
4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 749784
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 3383419
4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 750627
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
4-[3-methyl-2-[1-(4-methylphenyl)ethylideneamino]but-2-enoxy]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 143433630
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 47739085
N-[(4-chlorophenyl)-(4-methylphenyl)sulfonylmethyl]-4-methylbenzenesulfonamide
CID 16743563
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide
CID 16934005
4-chloro-N-[6-(4-methylanilino)pyridazin-3-yl]benzenesulfonamide
CID 113045875

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide (CID 135391827) is N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(C(C)NS(=O)(=O)c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is FJGPJCAHXNTTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O4S3/c1-11-3-7-14(8-4-11)29(25,26)22-17-20-19-16(27-17)12(2)21-28(23,24)15-9-5-13(18)6-10-15/h3-10,12,21H,1-2H3,(H,20,22).
What are the key properties of N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide?
N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 473.00 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 135391827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).